5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole

C228H174N12O6 — CID 161004144

IUPAC5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCC(C)c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(-c2ccccc2)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1cc(C(C)(C)C)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1ccccc1-c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.c1ccc2c(-c3ccc4oc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc4c3)cccc2c1
InChIInChI=1S/C41H26N2O.C39H28N2O.C39H36N2O.C38H26N2O.C36H30N2O.C35H28N2O/c1-2-10-33-29(8-1)9-7-13-34(33)31-22-25-40-37(26-31)42-41(44-40)30-18-16-27(17-19-30)28-20-23-32(24-21-28)43-38-14-5-3-11-35(38)36-12-4-6-15-39(36)43;1-2-26-24-31(27-10-4-3-5-11-27)25-35-38(26)42-39(40-35)30-18-16-28(17-19-30)29-20-22-32(23-21-29)41-36-14-8-6-12-33(36)34-13-7-9-15-37(34)41;1-38(2,3)28-23-32(39(4,5)6)36-33(24-28)40-37(42-36)27-17-15-25(16-18-27)26-19-21-29(22-20-26)41-34-13-9-7-11-30(34)31-12-8-10-14-35(31)41;1-25-8-2-3-9-31(25)29-20-23-37-34(24-29)39-38(41-37)28-16-14-26(15-17-28)27-18-21-30(22-19-27)40-35-12-6-4-10-32(35)33-11-5-7-13-36(33)40;1-23-21-27(36(2,3)4)22-31-34(23)39-35(37-31)26-15-13-24(14-16-26)25-17-19-28(20-18-25)38-32-11-7-5-9-29(32)30-10-6-8-12-33(30)38;1-3-23(2)27-18-21-34-31(22-27)36-35(38-34)26-14-12-24(13-15-26)25-16-19-28(20-17-25)37-32-10-6-4-8-29(32)30-9-5-7-11-33(30)37/h1-26H;3-25H,2H2,1H3;7-24H,1-6H3;2-24H,1H3;5-22H,1-4H3;4-23H,3H2,1-2H3
InChIKeyTWGZHDYONSHQDA-UHFFFAOYSA-N
MW3177.98 g/mol
LogP62.29
Rot. Bonds24

About 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole

5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole (PubChem CID 161004144) has the molecular formula C228H174N12O6 and a molecular weight of 3177.98 g/mol. Its IUPAC name is 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
PubChem CID161004144
Molecular FormulaC228H174N12O6
Molecular Weight3177.98 g/mol
Exact Mass3175.37
IUPAC Name5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCC(C)c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(-c2ccccc2)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1cc(C(C)(C)C)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1ccccc1-c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.c1ccc2c(-c3ccc4oc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc4c3)cccc2c1
InChIInChI=1S/C41H26N2O.C39H28N2O.C39H36N2O.C38H26N2O.C36H30N2O.C35H28N2O/c1-2-10-33-29(8-1)9-7-13-34(33)31-22-25-40-37(26-31)42-41(44-40)30-18-16-27(17-19-30)28-20-23-32(24-21-28)43-38-14-5-3-11-35(38)36-12-4-6-15-39(36)43;1-2-26-24-31(27-10-4-3-5-11-27)25-35-38(26)42-39(40-35)30-18-16-28(17-19-30)29-20-22-32(23-21-29)41-36-14-8-6-12-33(36)34-13-7-9-15-37(34)41;1-38(2,3)28-23-32(39(4,5)6)36-33(24-28)40-37(42-36)27-17-15-25(16-18-27)26-19-21-29(22-20-26)41-34-13-9-7-11-30(34)31-12-8-10-14-35(31)41;1-25-8-2-3-9-31(25)29-20-23-37-34(24-29)39-38(41-37)28-16-14-26(15-17-28)27-18-21-30(22-19-27)40-35-12-6-4-10-32(35)33-11-5-7-13-36(33)40;1-23-21-27(36(2,3)4)22-31-34(23)39-35(37-31)26-15-13-24(14-16-26)25-17-19-28(20-18-25)38-32-11-7-5-9-29(32)30-10-6-8-12-33(30)38;1-3-23(2)27-18-21-34-31(22-27)36-35(38-34)26-14-12-24(13-15-26)25-16-19-28(20-17-25)37-32-10-6-4-8-29(32)30-9-5-7-11-33(30)37/h1-26H;3-25H,2H2,1H3;7-24H,1-6H3;2-24H,1H3;5-22H,1-4H3;4-23H,3H2,1-2H3
InChIKeyTWGZHDYONSHQDA-UHFFFAOYSA-N
XLogP62.29
TPSA185.76 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms246
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003177.98
LogP ≤ 562.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole (CID 161004144) is 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole is CC(C)(C)c1cc(C(C)(C)C)c2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCC(C)c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.CCc1cc(-c2ccccc2)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1cc(C(C)(C)C)cc2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)oc12.Cc1ccccc1-c1ccc2oc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)nc2c1.c1ccc2c(-c3ccc4oc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)nc4c3)cccc2c1.
What is the InChIKey of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole?
The InChIKey is TWGZHDYONSHQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O.C39H28N2O.C39H36N2O.C38H26N2O.C36H30N2O.C35H28N2O/c1-2-10-33-29(8-1)9-7-13-34(33)31-22-25-40-37(26-31)42-41(44-40)30-18-16-27(17-19-30)28-20-23-32(24-21-28)43-38-14-5-3-11-35(38)36-12-4-6-15-39(36)43;1-2-26-24-31(27-10-4-3-5-11-27)25-35-38(26)42-39(40-35)30-18-16-28(17-19-30)29-20-22-32(23-21-29)41-36-14-8-6-12-33(36)34-13-7-9-15-37(34)41;1-38(2,3)28-23-32(39(4,5)6)36-33(24-28)40-37(42-36)27-17-15-25(16-18-27)26-19-21-29(22-20-26)41-34-13-9-7-11-30(34)31-12-8-10-14-35(31)41;1-25-8-2-3-9-31(25)29-20-23-37-34(24-29)39-38(41-37)28-16-14-26(15-17-28)27-18-21-30(22-19-27)40-35-12-6-4-10-32(35)33-11-5-7-13-36(33)40;1-23-21-27(36(2,3)4)22-31-34(23)39-35(37-31)26-15-13-24(14-16-26)25-17-19-28(20-18-25)38-32-11-7-5-9-29(32)30-10-6-8-12-33(30)38;1-3-23(2)27-18-21-34-31(22-27)36-35(38-34)26-14-12-24(13-15-26)25-16-19-28(20-17-25)37-32-10-6-4-8-29(32)30-9-5-7-11-33(30)37/h1-26H;3-25H,2H2,1H3;7-24H,1-6H3;2-24H,1H3;5-22H,1-4H3;4-23H,3H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole?
5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole has a molecular weight of 3177.98 g/mol, XLogP of 62.29, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole;5-tert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-methyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-7-ethyl-5-phenyl-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(2-methylphenyl)-1,3-benzoxazole;2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-1,3-benzoxazole;5,7-ditert-butyl-2-[4-(4-carbazol-9-ylphenyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 161004144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).